REMARK  Name = BDB055813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.137   0.845   0.393  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1        1.443   1.016   1.597  0.00  0.00    +0.086 A 
ATOM      3 CL   LIG    1        2.219   1.671   2.994  0.00  0.00    -0.080 Cl
ATOM      4  C   LIG    1        0.100   0.648   1.698  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.554   0.113   0.588  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.115  -0.017  -0.629  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        1.458   0.351  -0.728  0.00  0.00    +0.086 A 
ATOM      8 CL   LIG    1        2.239   0.190  -2.260  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1       -1.949  -0.220   0.661  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1       -2.201  -0.521   1.606  0.00  0.00    +0.174 HD
BRANCH   9  11
ATOM     11  S   LIG    1       -2.982   1.089   0.276  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1       -3.151   1.806   1.524  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1       -2.532   1.761  -0.921  0.00  0.00    -0.150 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -4.512   0.272  -0.088  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -4.639  -0.609  -1.167  0.00  0.00    +0.069 A 
ATOM     16 CL   LIG    1       -3.349  -1.024  -2.233  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -5.875  -1.218  -1.417  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -6.971  -0.945  -0.600  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1       -8.483  -1.700  -0.916  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -6.850  -0.064   0.472  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -5.622   0.547   0.729  0.00  0.00    +0.032 A 
ENDBRANCH  11  14
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  22
ATOM     22  O   LIG    1        3.448   1.248   0.300  0.00  0.00    -0.452 OA
BRANCH  22  25
ATOM     23  C   LIG    1        6.755  -0.238   0.035  0.00  0.00    +0.073 A 
ATOM     24  C   LIG    1        5.699   0.671  -0.033  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1        4.428   0.287   0.395  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1        4.273  -1.002   0.893  0.00  0.00    +0.157 A 
ATOM     27  N   LIG    1        5.279  -1.908   0.972  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        6.497  -1.505   0.539  0.00  0.00    +0.129 A 
BRANCH  23  30
ATOM     29  N   LIG    1        9.137   0.400  -0.748  0.00  0.00    -0.191 NA
ATOM     30  C   LIG    1        8.068   0.115  -0.398  0.00  0.00    +0.101 C 
ENDBRANCH  23  30
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 6